Cas no 16851-08-4 (4H-1-Benzopyran-4-thione,7-(acetyloxy)-3-(4-methoxyphenyl)-)
16851-08-4 structure
Product Name:4H-1-Benzopyran-4-thione,7-(acetyloxy)-3-(4-methoxyphenyl)-
CAS No:16851-08-4
MF:C18H14O4S
MW:326.366364002228
CID:229257
PubChem ID:262085
Update Time:2025-04-19
4H-1-Benzopyran-4-thione,7-(acetyloxy)-3-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1-Benzopyran-4-thione,7-(acetyloxy)-3-(4-methoxyphenyl)-
- [3-(4-methoxyphenyl)-4-sulfanylidenechromen-7-yl] acetate
- 3-(4-methoxyphenyl)-4-thioxo-4h-chromen-7-yl acetate
- 7-acetoxy-3-(4-methoxy-phenyl)-chromene-4-thione
- AC1L66PG
- AC1Q62EH
- AR-1E7052
- CTK4D3015
- HMS3079O19
- NSC95378
- SMR001561196
- MLS002695289
- CHEMBL1699857
- 16851-08-4
- DTXSID50294230
- NSC-95378
-
- Inchi： 1S/C18H14O4S/c1-11(19)22-14-7-8-15-17(9-14)21-10-16(18(15)23)12-3-5-13(20-2)6-4-12/h3-10H,1-2H3
- InChI Key： YTXPADUBACXOGN-UHFFFAOYSA-N
- SMILES： S=C1C(=COC2C=C(C=CC=21)OC(C)=O)C1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 326.06132
- Monoisotopic Mass: 326.061
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 493
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 76.8?2
Experimental Properties
- Density: 1.34
- Boiling Point: 466.1°Cat760mmHg
- Flash Point: 235.7°C
- Refractive Index: 1.659
- PSA: 44.76
- LogP: 4.76320
4H-1-Benzopyran-4-thione,7-(acetyloxy)-3-(4-methoxyphenyl)- Related Literature
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
16851-08-4 (4H-1-Benzopyran-4-thione,7-(acetyloxy)-3-(4-methoxyphenyl)-) Related Products
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